Compile Data Set for Download or QSAR

Found 10 hits Enz. Inhib. hit(s) with all data for entry = 6027   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Lysosomal Pro-X carboxypeptidase (Homo sapiens (Human))	BDBM50382912 (CHEMBL2023209 | US8569299, 4) Show SMILES Cc1cc(C2CCN(CC2)C(=O)[C@@H]2CN(C[C@H]2c2ccc(F)cc2F)C(C)(C)C)n(n1)-c1ccc(F)c(Cl)c1 |r| Show InChI InChI=1S/C30H34ClF3N4O/c1-18-13-28(38(35-18)21-6-8-26(33)25(31)15-21)19-9-11-36(12-10-19)29(39)24-17-37(30(2,3)4)16-23(24)22-7-5-20(32)14-27(22)34/h5-8,13-15,19,23-24H,9-12,16-17H2,1-4H3/t23-,24+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	5.5	37
Merck Sharp & Dohme Corp US Patent					Assay Description The potency of compounds against PRCP was determined by a fluorescence intensity kinetic assay measuring the IC50 values of PRCP inhibitor test compo...				US Patent US8569299 (2013) BindingDB Entry DOI: 10.7270/Q2K9365V
					More data for this Ligand-Target Pair
Lysosomal Pro-X carboxypeptidase (Homo sapiens (Human))	BDBM104819 (US8569299, 8) Show SMILES CN(C)[C@]1(C)C[C@H]([C@@H](C1)c1ccc(F)cc1F)C(=O)N1CCC(CC1)c1cc(C)nn1-c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C30H34Cl2F2N4O/c1-18-13-28(38(35-18)21-6-8-25(31)26(32)15-21)19-9-11-37(12-10-19)29(39)24-17-30(2,36(3)4)16-23(24)22-7-5-20(33)14-27(22)34/h5-8,13-15,19,23-24H,9-12,16-17H2,1-4H3/t23-,24+,30-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	5.5	37
Merck Sharp & Dohme Corp US Patent					Assay Description The potency of compounds against PRCP was determined by a fluorescence intensity kinetic assay measuring the IC50 values of PRCP inhibitor test compo...				US Patent US8569299 (2013) BindingDB Entry DOI: 10.7270/Q2K9365V
					More data for this Ligand-Target Pair
Lysosomal Pro-X carboxypeptidase (Homo sapiens (Human))	BDBM50382886 (CHEMBL2024198 | US8569299, 23) Show SMILES Cc1nc(C2CCN(CC2)C(=O)[C@@H]2CN(C[C@H]2c2ccc(F)cc2F)C(C)(C)C)n(n1)-c1ccc(Cl)c(C)c1 |r| Show InChI InChI=1S/C30H36ClF2N5O/c1-18-14-22(7-9-26(18)31)38-28(34-19(2)35-38)20-10-12-36(13-11-20)29(39)25-17-37(30(3,4)5)16-24(25)23-8-6-21(32)15-27(23)33/h6-9,14-15,20,24-25H,10-13,16-17H2,1-5H3/t24-,25+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.900	n/a	n/a	n/a	n/a	5.5	37
Merck Sharp & Dohme Corp US Patent					Assay Description The potency of compounds against PRCP was determined by a fluorescence intensity kinetic assay measuring the IC50 values of PRCP inhibitor test compo...				US Patent US8569299 (2013) BindingDB Entry DOI: 10.7270/Q2K9365V
					More data for this Ligand-Target Pair
Lysosomal Pro-X carboxypeptidase (Homo sapiens (Human))	BDBM104816 (US8569299, 2) Show SMILES CN(CCC(F)(F)F)[C@@H]1C[C@H]([C@@H](C1)c1ccc(F)cc1F)C(=O)N1CCC(CC1)c1nc(C)nn1-c1ccc(Cl)c(C)c1 |r| Show InChI InChI=1S/C31H35ClF5N5O/c1-18-14-22(5-7-27(18)32)42-29(38-19(2)39-42)20-8-11-41(12-9-20)30(43)26-17-23(40(3)13-10-31(35,36)37)16-25(26)24-6-4-21(33)15-28(24)34/h4-7,14-15,20,23,25-26H,8-13,16-17H2,1-3H3/t23-,25-,26+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5.90	n/a	n/a	n/a	n/a	5.5	37
Merck Sharp & Dohme Corp US Patent					Assay Description The potency of compounds against PRCP was determined by a fluorescence intensity kinetic assay measuring the IC50 values of PRCP inhibitor test compo...				US Patent US8569299 (2013) BindingDB Entry DOI: 10.7270/Q2K9365V
					More data for this Ligand-Target Pair
Lysosomal Pro-X carboxypeptidase (Homo sapiens (Human))	BDBM104818 (US8569299, 7) Show SMILES Cc1cc(C2CCN(CC2)C(=O)[C@@H]2C[C@](C)(C[C@H]2c2ccc(F)cc2F)N2CCOCC2)n(n1)-c1ccc(F)c(Cl)c1 |r| Show InChI InChI=1S/C32H36ClF3N4O2/c1-20-15-30(40(37-20)23-4-6-28(35)27(33)17-23)21-7-9-38(10-8-21)31(41)26-19-32(2,39-11-13-42-14-12-39)18-25(26)24-5-3-22(34)16-29(24)36/h3-6,15-17,21,25-26H,7-14,18-19H2,1-2H3/t25-,26+,32-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6.30	n/a	n/a	n/a	n/a	5.5	37
Merck Sharp & Dohme Corp US Patent					Assay Description The potency of compounds against PRCP was determined by a fluorescence intensity kinetic assay measuring the IC50 values of PRCP inhibitor test compo...				US Patent US8569299 (2013) BindingDB Entry DOI: 10.7270/Q2K9365V
					More data for this Ligand-Target Pair
Lysosomal Pro-X carboxypeptidase (Homo sapiens (Human))	BDBM50383424 (CHEMBL2031591 | US8569299, 6) Show SMILES Cc1cc(C2CCN(CC2)C(=O)[C@@H]2C[C@@](C)(N)C[C@H]2c2ccc(F)cc2F)n(n1)-c1ccc(F)c(Cl)c1 |r| Show InChI InChI=1S/C28H30ClF3N4O/c1-16-11-26(36(34-16)19-4-6-24(31)23(29)13-19)17-7-9-35(10-8-17)27(37)22-15-28(2,33)14-21(22)20-5-3-18(30)12-25(20)32/h3-6,11-13,17,21-22H,7-10,14-15,33H2,1-2H3/t21-,22+,28-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	8.10	n/a	n/a	n/a	n/a	5.5	37
Merck Sharp & Dohme Corp US Patent					Assay Description The potency of compounds against PRCP was determined by a fluorescence intensity kinetic assay measuring the IC50 values of PRCP inhibitor test compo...				US Patent US8569299 (2013) BindingDB Entry DOI: 10.7270/Q2K9365V
					More data for this Ligand-Target Pair
Lysosomal Pro-X carboxypeptidase (Homo sapiens (Human))	BDBM104817 (US8569299, 3) Show SMILES Cc1nc(C2CCN(CC2)C(=O)[C@@H]2CC(C[C@H]2c2ccc(F)cc2F)N2CCC(F)(F)C2)n(n1)-c1ccc(Cl)c(C)c1 |r| Show InChI InChI=1S/C31H34ClF4N5O/c1-18-13-22(4-6-27(18)32)41-29(37-19(2)38-41)20-7-10-39(11-8-20)30(42)26-16-23(40-12-9-31(35,36)17-40)15-25(26)24-5-3-21(33)14-28(24)34/h3-6,13-14,20,23,25-26H,7-12,15-17H2,1-2H3/t23?,25-,26+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	9.80	n/a	n/a	n/a	n/a	5.5	37
Merck Sharp & Dohme Corp US Patent					Assay Description The potency of compounds against PRCP was determined by a fluorescence intensity kinetic assay measuring the IC50 values of PRCP inhibitor test compo...				US Patent US8569299 (2013) BindingDB Entry DOI: 10.7270/Q2K9365V
					More data for this Ligand-Target Pair
Lysosomal Pro-X carboxypeptidase (Homo sapiens (Human))	BDBM50382921 (CHEMBL2024196 | US8569299, 5) Show SMILES Cc1cc(C2CCN(CC2)C(=O)[C@@H]2CNC[C@H]2c2ccc(F)cc2F)n(n1)-c1ccc(F)c(Cl)c1 |r| Show InChI InChI=1S/C26H26ClF3N4O/c1-15-10-25(34(32-15)18-3-5-23(29)22(27)12-18)16-6-8-33(9-7-16)26(35)21-14-31-13-20(21)19-4-2-17(28)11-24(19)30/h2-5,10-12,16,20-21,31H,6-9,13-14H2,1H3/t20-,21+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	10.7	n/a	n/a	n/a	n/a	5.5	37
Merck Sharp & Dohme Corp US Patent					Assay Description The potency of compounds against PRCP was determined by a fluorescence intensity kinetic assay measuring the IC50 values of PRCP inhibitor test compo...				US Patent US8569299 (2013) BindingDB Entry DOI: 10.7270/Q2K9365V
					More data for this Ligand-Target Pair
Lysosomal Pro-X carboxypeptidase (Homo sapiens (Human))	BDBM104815 (US8569299, 1) Show SMILES CN[C@@H]1C[C@H]([C@@H](C1)c1ccc(F)cc1F)C(=O)N1CCC(CC1)c1nc(C)nn1-c1ccc(Cl)c(C)c1 |r| Show InChI InChI=1S/C28H32ClF2N5O/c1-16-12-21(5-7-25(16)29)36-27(33-17(2)34-36)18-8-10-35(11-9-18)28(37)24-15-20(32-3)14-23(24)22-6-4-19(30)13-26(22)31/h4-7,12-13,18,20,23-24,32H,8-11,14-15H2,1-3H3/t20-,23-,24+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	13.9	n/a	n/a	n/a	n/a	5.5	37
Merck Sharp & Dohme Corp US Patent					Assay Description The potency of compounds against PRCP was determined by a fluorescence intensity kinetic assay measuring the IC50 values of PRCP inhibitor test compo...				US Patent US8569299 (2013) BindingDB Entry DOI: 10.7270/Q2K9365V
					More data for this Ligand-Target Pair
Lysosomal Pro-X carboxypeptidase (Homo sapiens (Human))	BDBM50383422 (CHEMBL2031594 | US8569299, 74) Show SMILES Cc1cc(C2CCN(CC2)C(=O)[C@H]2C[C@@](C)(N)C[C@@H]2c2ccc(F)cc2F)n(n1)-c1ccc(F)c(Cl)c1 |r| Show InChI InChI=1S/C28H30ClF3N4O/c1-16-11-26(36(34-16)19-4-6-24(31)23(29)13-19)17-7-9-35(10-8-17)27(37)22-15-28(2,33)14-21(22)20-5-3-18(30)12-25(20)32/h3-6,11-13,17,21-22H,7-10,14-15,33H2,1-2H3/t21-,22+,28+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	18	n/a	n/a	n/a	n/a	5.5	37
Merck Sharp & Dohme Corp US Patent					Assay Description The potency of compounds against PRCP was determined by a fluorescence intensity kinetic assay measuring the IC50 values of PRCP inhibitor test compo...				US Patent US8569299 (2013) BindingDB Entry DOI: 10.7270/Q2K9365V
					More data for this Ligand-Target Pair